SCHEMBL1986259

SCHEMBL1986259

CC(C)(C)C(=O)c1c(C(=O)O)cc2c(c1C(=O)C(C)(C)C)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX12 P18054 2/20 0.49
BRCA1 P38398 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
FTO Q9C0B1 10/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMAD3 P84022 1/20 0.48
PRMT1 Q99873 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
LMNA P02545 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3282095 0.93 HPGD (0.51) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL2877720 0.93 HPGD (0.51) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL2989053 0.86 HPGD (0.53) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL2407742 0.86 HPGD (0.52) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL1991388 0.85 FTO (0.42) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL6510685 0.84 HPGD (0.50) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL2225607 0.84 HPGD (0.53) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL8815694 0.81 FTO (0.44) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL5711738 0.81 HPGD (0.45) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL3468980 0.81 HPGD (0.49) HPGDALDH1A1ALOX12BRCA1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687609-B1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES INC (US) 2014-12-10 EP disclosed
US-8853132-B2 Directed synthesis of oligophosphoramidate stereoisomers ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-10-07 US disclosed
US-20140045719-A1 DIRECTED SYNTHESIS OF OLIGOPHOSPHORAMIDATE STEREOISOMERS ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-02-13 US disclosed
US-8569515-B2 Directed synthesis of oligophosphoramidate stereoisomers ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-10-29 US disclosed
US-20130022976-A1 HYPERTHERMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE ELITECH HOLDING B.V. 2013-01-24 US disclosed
EP-2370450-A1 DIRECTED SYNTHESIS OF OLIGOPHOSPHORAMIDATE STEREOISOMERS Roche Diagnostics GmbH (DE) 2011-10-05 EP disclosed
US-20110212861-A1 DIRECTED SYNTHESIS OF OLIGOPHOSPHORAMIDATE STEREOISOMERS ROCHE DIAGNOSTICS GMBH (DE) 2011-09-01 US disclosed
US-20110151457-A1 HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE ELITECH HOLDING B.V. 2011-06-23 US disclosed
US-7759126-B2 Real-time linear detection probes: sensitive 5′-minor groove binder-containing probes for amplification (or PCR) analysis ELITECH HOLDING B.V. (NL) 2010-07-20 US disclosed
WO-2010060599-A1 DIRECTED SYNTHESIS OF OLIGOPHOSPHORAMIDATE STEREOISOMERS ROCHE DIAGNOSTICS GMBH (DE) 2010-06-03 WO disclosed
WO-2009058852-A2 MINOR GROOVE BINDER-ENERGY TRANSFER OLIGONUCLEOTIDES AND METHODS FOR THEIR USE EPOCH BIOSCIENCES, INC. (US) 2009-05-07 WO disclosed
US-20080293586-A1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES, INC. (US) 2008-11-27 US disclosed
US-7381818-B2 Fluorescent probes containing 5′-minor groove binder, fluorophore and quenching moieties and methods of use thereof EPOCH BIOSCIENCES, INC. (US) 2008-06-03 US disclosed
EP-1687609-A2 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND Epoch Biosciences, Inc. (US) 2006-08-09 EP disclosed
US-20050214797-A1 Fluorescent probes for DNA detection by hybridization with improved sensitivity and low background EPOCH BIOSCIENCES, INC (US) 2005-09-29 US disclosed
WO-2005043127-A2 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES, INC. (US) 2005-05-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140045719-A1 DIRECTED SYNTHESIS OF OLIGOPHOSPHORAMIDATE STEREOISOMERS TYMP, TK1, PFAS HPGD 1546/4885ALDH1A1 1428/4885ALOX12 1285/4885
US-20080293586-A1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND SSBP1, DDB1, DNA2 HPGD 3648/4885ALDH1A1 3164/4885ALOX12 4177/4885
US-20110212861-A1 DIRECTED SYNTHESIS OF OLIGOPHOSPHORAMIDATE STEREOISOMERS TYMP, TK1, PFAS HPGD 1546/4885ALDH1A1 1428/4885ALOX12 1285/4885
US-20110151457-A1 HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE DNASE1, FEN1, UNG HPGD 756/4885ALDH1A1 681/4885ALOX12 2918/4885
US-20050214797-A1 Fluorescent probes for DNA detection by hybridization with improved sensitivity and low background SSBP1, DDB1, DNA2 HPGD 3648/4885ALDH1A1 3164/4885ALOX12 4177/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.